1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid

C10H14N2O2S — CID 96603325

IUPAC1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)(c2ccns2)CC1
InChIInChI=1S/C10H14N2O2S/c1-12-6-3-10(4-7-12,9(13)14)8-2-5-11-15-8/h2,5H,3-4,6-7H2,1H3,(H,13,14)
InChIKeyDTULAXZFDBKHJV-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.19
Rot. Bonds2

About 1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid

1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 96603325) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid
PubChem CID96603325
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)(c2ccns2)CC1
InChIInChI=1S/C10H14N2O2S/c1-12-6-3-10(4-7-12,9(13)14)8-2-5-11-15-8/h2,5H,3-4,6-7H2,1H3,(H,13,14)
InChIKeyDTULAXZFDBKHJV-UHFFFAOYSA-N
XLogP1.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2-(1,2-thiazol-5-yl)propanoic acid
CID 82412108
4-(1,2-Thiazol-5-yl)oxane-4-carboxylic acid
CID 96612608
4-(1,2-Thiazol-5-yl)piperidine-4-carboxylic acid
CID 96613159
1-(1,2-Thiazol-5-yl)cyclopentane-1-carboxylic acid
CID 96621501
1-(1,2-Thiazol-5-yl)cyclobutane-1-carboxylic acid
CID 96627418
1-(1,2-Thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 96631993
2-(1,2-Thiazol-5-yl)butanoic acid
CID 112489558
3-Methyl-2-(1,2-thiazol-5-yl)butanoic acid
CID 130798229

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid (CID 96603325) is 1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid is CN1CCC(C(=O)O)(c2ccns2)CC1.
What is the InChIKey of 1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is DTULAXZFDBKHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-12-6-3-10(4-7-12,9(13)14)8-2-5-11-15-8/h2,5H,3-4,6-7H2,1H3,(H,13,14).
What are the key properties of 1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid?
1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 96603325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).